9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole

C26H23N — CID 129215312

IUPAC9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
SMILESCc1ccccc1-c1cc(-n2c3c(c4ccccc42)C=CCC3)ccc1C
InChIInChI=1S/C26H23N/c1-18-9-3-4-10-21(18)24-17-20(16-15-19(24)2)27-25-13-7-5-11-22(25)23-12-6-8-14-26(23)27/h3-7,9-13,15-17H,8,14H2,1-2H3
InChIKeyQWLHGCMBSMAXLP-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.87
Rot. Bonds2

About 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole

9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole (PubChem CID 129215312) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
PubChem CID129215312
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
SMILESCc1ccccc1-c1cc(-n2c3c(c4ccccc42)C=CCC3)ccc1C
InChIInChI=1S/C26H23N/c1-18-9-3-4-10-21(18)24-17-20(16-15-19(24)2)27-25-13-7-5-11-22(25)23-12-6-8-14-26(23)27/h3-7,9-13,15-17H,8,14H2,1-2H3
InChIKeyQWLHGCMBSMAXLP-UHFFFAOYSA-N
XLogP6.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole (CID 129215312) is 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole is Cc1ccccc1-c1cc(-n2c3c(c4ccccc42)C=CCC3)ccc1C.
What is the InChIKey of 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole?
The InChIKey is QWLHGCMBSMAXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-18-9-3-4-10-21(18)24-17-20(16-15-19(24)2)27-25-13-7-5-11-22(25)23-12-6-8-14-26(23)27/h3-7,9-13,15-17H,8,14H2,1-2H3.
What are the key properties of 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole?
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole has a molecular weight of 349.48 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 129215312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).